N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

C21H18FN3O2 — CID 162664227

IUPACN-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCOc2ccc(-c3ccncc3)cc2C1
InChIInChI=1S/C21H18FN3O2/c22-18-3-1-2-4-19(18)24-21(26)25-11-12-27-20-6-5-16(13-17(20)14-25)15-7-9-23-10-8-15/h1-10,13H,11-12,14H2,(H,24,26)
InChIKeySWCCJWZJURVVSG-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.31
Rot. Bonds2

About N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (PubChem CID 162664227) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
PubChem CID162664227
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCOc2ccc(-c3ccncc3)cc2C1
InChIInChI=1S/C21H18FN3O2/c22-18-3-1-2-4-19(18)24-21(26)25-11-12-27-20-6-5-16(13-17(20)14-25)15-7-9-23-10-8-15/h1-10,13H,11-12,14H2,(H,24,26)
InChIKeySWCCJWZJURVVSG-UHFFFAOYSA-N
XLogP4.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (CID 162664227) is N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is O=C(Nc1ccccc1F)N1CCOc2ccc(-c3ccncc3)cc2C1.
What is the InChIKey of N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The InChIKey is SWCCJWZJURVVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-18-3-1-2-4-19(18)24-21(26)25-11-12-27-20-6-5-16(13-17(20)14-25)15-7-9-23-10-8-15/h1-10,13H,11-12,14H2,(H,24,26).
What are the key properties of N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 162664227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).